N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

C14H23NO4S — CID 102697438

IUPACN-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-10(2)19-14-7-6-13(8-11(14)3)20(16,17)15-9-12(4)18-5/h6-8,10,12,15H,9H2,1-5H3
InChIKeyYNTWWPWDUFLMJT-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.10
Rot. Bonds7

About N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 102697438) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID102697438
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-10(2)19-14-7-6-13(8-11(14)3)20(16,17)15-9-12(4)18-5/h6-8,10,12,15H,9H2,1-5H3
InChIKeyYNTWWPWDUFLMJT-UHFFFAOYSA-N
XLogP2.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
4-(chloromethyl)-N-(2-methoxypropyl)-3-methylbenzenesulfonamide
CID 112737391
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
CID 113236594
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
N-(cyanomethyl)-2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 138997268

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 102697438) is N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is COC(C)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is YNTWWPWDUFLMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-10(2)19-14-7-6-13(8-11(14)3)20(16,17)15-9-12(4)18-5/h6-8,10,12,15H,9H2,1-5H3.
What are the key properties of N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 102697438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).